SCHEMBL28596758

SCHEMBL28596758

O=C(O)C(=O)CCOP(=O)(OCO)OCO

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 2/20 0.36
MAPK1 P28482 1/20 0.36
SLC13A3 Q8WWT9 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28596760 0.75 MAPK1 (0.32) OR51E2MAPK1SLC13A3EGLN1ALDH1A1
SCHEMBL1351478 0.74 TSHR (0.44) ALDH1A1CYP3A4
SCHEMBL28058092 0.72 OR51E2 (0.37) OR51E2MAPK1SLC13A3EGLN1
SCHEMBL8649476 0.72 SAT1 (0.39) OR51E2MAPK1SLC13A3EGLN1ALDH1A1
SCHEMBL2459985 0.72 ALDH1A1 (0.43) OR51E2MAPK1SLC13A3EGLN1ALDH1A1
SCHEMBL11720742 0.72
SCHEMBL28207012 0.71 PPARD (0.38) OR51E2MAPK1SLC13A3EGLN1
Hydrochloric Acid SCHEMBL502062 0.70 ALDH1A1 (0.42) OR51E2MAPK1SLC13A3EGLN1ALDH1A1
SCHEMBL28831018 0.69 CYP3A4 (0.54) ALDH1A1CYP3A4
SCHEMBL9749922 0.69 ALDH1A1 (0.75) ALDH1A1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112888780-A Nucleic acids encoding improved transaminase proteins 拜耳公司 2021-06-01 CN disclosed